Dear Amber Users,
I tried to do LMOD minimization and by using the following (written below) "min.in" file I got only a "min.out" file but did not get any "min.rst" file. Kindly help me how write the "min.in" file if I want to get a global minimum for my system.
I am attaching the "min.out" file.
My "min.in" is
energy minimisation
&cntrl
imin = 1,
ntmin = 4,
maxcyc = 50000,
ntb = 0,
igb = 1,
cut = 12,
/
Thank you,
Gunajyoti
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- application/octet-stream attachment: min1.out
Received on Thu Feb 25 2010 - 04:00:02 PST
